기본 정보
- CAS
667912-91-6- 표준 SMILES
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)o3)c2c1=O- InChIKey
OCMNDIUMSIHEOO-UHFFFAOYSA-N- 분자식
- C19H17N3O2S3
- 평균 분자량
- 415.6 g/mol
이름 및 식별자
- 우선 이름
- 5-(5-Methylfuran-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 5-(5-methylfuran-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
- 영어명
- 3-allyl-5-(5-methyl-2-furyl)-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
- 분자식
- C19H17N3O2S3
- 분자량
- 415.55
이름 및 동의어
667912-91-65-(5-methylfuran-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-oneSMR0000725602-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one3-allyl-5-(5-methyl-2-furyl)-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}thieno[2,3-d]pyrimidin-4(3H)-oneMLS000088312MLS002541579CHEMBL1418929HMS2441I16AKOS0008126163-allyl-5-(5-methyl-2-furyl)-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one3-allyl-5-(5-methylfuran-2-yl)-2-(((2-methylthiazol-4-yl)methyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one
이름 더 보기
Thieno[2,3-d]pyrimidin-4(3H)-one, 5-(5-methyl-2-furanyl)-2-[[(2-methyl-4-thiazolyl)methyl]thio]-3-(2-propen-1-yl)-
VU0186753-5VU0186753-6AQ-750/41790935F3111-1498Z275025522
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 617
물리화학적 성질
- 끓는 점
- 566.8 · 566.8±60.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.62 · 1.62±0.10(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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